[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate

C339H542O65 — CID 161210809

About [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate

[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate (PubChem CID 161210809) has the molecular formula C339H542O65 and a molecular weight of 5658.00 g/mol. Its IUPAC name is [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate.

Molecular Properties

• Compound Name: [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate
• PubChem CID: 161210809
• Molecular Formula: C339H542O65
• Molecular Weight: 5658.00 g/mol
• Exact Mass: 5653.91
• IUPAC Name: [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate
• SMILES: C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C\C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(CC)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(COC(=O)C=C(C)C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@]2(COC(=O)C=C(C)C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]2(COC(=O)C=C(C)C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](OC(=O)C=C(C)C)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(COC(=O)C=C(C)C)[C@H](O)C1
• InChI: InChI=1S/3C46H72O9.4C41H66O8.C37H62O6/c1-14-15-33-43(11)18-17-35(55-38(50)22-30(6)7)44(12,26-53-36(48)20-28(2)3)32(43)16-19-45(33,13)42(10)24-31-23-41(8,9)39(51)40(52)46(31,34(47)25-42)27-54-37(49)21-29(4)5;1-14-15-33-43(11)18-17-34(47)44(12,26-53-36(49)20-28(2)3)32(43)16-19-45(33,13)42(10)24-31-23-41(8,9)40(55-38(51)22-30(6)7)39(52)46(31,35(48)25-42)27-54-37(50)21-29(4)5;1-14-15-33-43(11)18-17-34(47)44(12,26-53-36(49)20-28(2)3)32(43)16-19-45(33,13)42(10)24-31-23-41(8,9)39(52)40(55-38(51)22-30(6)7)46(31,35(48)25-42)27-54-37(50)21-29(4)5;1-12-13-29-38(9)16-15-30(43)39(10,24-48-32(45)18-25(2)3)28(38)14-17-40(29,11)37(8)21-27-20-36(6,7)35(49-33(46)19-26(4)5)34(47)41(27,23-42)31(44)22-37;1-12-13-29-38(9)16-15-30(43)39(10,24-48-32(45)18-25(2)3)28(38)14-17-40(29,11)37(8)21-27-20-36(6,7)34(47)35(49-33(46)19-26(4)5)41(27,23-42)31(44)22-37;1-12-13-29-38(9)16-15-30(42)39(10,23-48-32(44)18-25(2)3)28(38)14-17-40(29,11)37(8)21-27-20-36(6,7)34(46)35(47)41(27,31(43)22-37)24-49-33(45)19-26(4)5;1-12-15-29-38(9)18-17-30(43)39(10,24-48-34(46)25(4)13-2)28(38)16-19-40(29,11)37(8)21-27-20-36(6,7)33(49-35(47)26(5)14-3)32(45)41(27,23-42)31(44)22-37;1-11-13-26-34(8)16-15-27(38)35(9,22-43-29(40)18-23(3)4)25(34)14-17-36(26,10)33(7)20-24-19-32(5,6)30(41)31(42)37(24,12-2)28(39)21-33/h14,20-22,31-35,39-40,47,51-52H,1,15-19,23-27H2,2-13H3;2*14,20-22,31-35,39-40,47-48,52H,1,15-19,23-27H2,2-13H3;2*12,18-19,27-31,34-35,42-44,47H,1,13-17,20-24H2,2-11H3;12,18-19,27-31,34-35,42-43,46-47H,1,13-17,20-24H2,2-11H3;12-14,27-33,42-45H,1,15-24H2,2-11H3;11,18,24-28,30-31,38-39,41-42H,1,12-17,19-22H2,2-10H3/b;;;;;;25-13-,26-14-;/t31?,32?,33?,34-,35+,39+,40+,42+,43+,44-,45-,46+;2*31?,32?,33?,34-,35+,39-,40-,42-,43-,44+,45+,46-;3*27?,28?,29?,30-,31+,34-,35-,37-,38-,39+,40+,41-;27?,28?,29?,30-,31+,32-,33-,37-,38-,39+,40+,41-;24?,25?,26?,27-,28+,30-,31-,33-,34-,35+,36+,37-/m10000000/s1
• InChIKey: UWEYHWLRBIJHEM-PHUSPYIZSA-N
• XLogP: 58.51
• TPSA: 1060.07 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 65
• Rotatable Bonds: 76
• Heavy Atoms: 404
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5658.00
LogP ≤ 5	58.51
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	65

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate?

The IUPAC name of [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate (CID 161210809) is [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate.

What is the SMILES notation for [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate?

The canonical SMILES for [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate is C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C\C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(CC)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(COC(=O)C=C(C)C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@]2(COC(=O)C=C(C)C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]2(COC(=O)C=C(C)C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](OC(=O)C=C(C)C)[C@](C)(COC(=O)C=C(C)C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(COC(=O)C=C(C)C)[C@H](O)C1.

What is the InChIKey of [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate?

The InChIKey is UWEYHWLRBIJHEM-PHUSPYIZSA-N. The full InChI is InChI=1S/3C46H72O9.4C41H66O8.C37H62O6/c1-14-15-33-43(11)18-17-35(55-38(50)22-30(6)7)44(12,26-53-36(48)20-28(2)3)32(43)16-19-45(33,13)42(10)24-31-23-41(8,9)39(51)40(52)46(31,34(47)25-42)27-54-37(49)21-29(4)5;1-14-15-33-43(11)18-17-34(47)44(12,26-53-36(49)20-28(2)3)32(43)16-19-45(33,13)42(10)24-31-23-41(8,9)40(55-38(51)22-30(6)7)39(52)46(31,35(48)25-42)27-54-37(50)21-29(4)5;1-14-15-33-43(11)18-17-34(47)44(12,26-53-36(49)20-28(2)3)32(43)16-19-45(33,13)42(10)24-31-23-41(8,9)39(52)40(55-38(51)22-30(6)7)46(31,35(48)25-42)27-54-37(50)21-29(4)5;1-12-13-29-38(9)16-15-30(43)39(10,24-48-32(45)18-25(2)3)28(38)14-17-40(29,11)37(8)21-27-20-36(6,7)35(49-33(46)19-26(4)5)34(47)41(27,23-42)31(44)22-37;1-12-13-29-38(9)16-15-30(43)39(10,24-48-32(45)18-25(2)3)28(38)14-17-40(29,11)37(8)21-27-20-36(6,7)34(47)35(49-33(46)19-26(4)5)41(27,23-42)31(44)22-37;1-12-13-29-38(9)16-15-30(42)39(10,23-48-32(44)18-25(2)3)28(38)14-17-40(29,11)37(8)21-27-20-36(6,7)34(46)35(47)41(27,31(43)22-37)24-49-33(45)19-26(4)5;1-12-15-29-38(9)18-17-30(43)39(10,24-48-34(46)25(4)13-2)28(38)16-19-40(29,11)37(8)21-27-20-36(6,7)33(49-35(47)26(5)14-3)32(45)41(27,23-42)31(44)22-37;1-11-13-26-34(8)16-15-27(38)35(9,22-43-29(40)18-23(3)4)25(34)14-17-36(26,10)33(7)20-24-19-32(5,6)30(41)31(42)37(24,12-2)28(39)21-33/h14,20-22,31-35,39-40,47,51-52H,1,15-19,23-27H2,2-13H3;2*14,20-22,31-35,39-40,47-48,52H,1,15-19,23-27H2,2-13H3;2*12,18-19,27-31,34-35,42-44,47H,1,13-17,20-24H2,2-11H3;12,18-19,27-31,34-35,42-43,46-47H,1,13-17,20-24H2,2-11H3;12-14,27-33,42-45H,1,15-24H2,2-11H3;11,18,24-28,30-31,38-39,41-42H,1,12-17,19-22H2,2-10H3/b;;;;;;25-13-,26-14-;/t31?,32?,33?,34-,35+,39+,40+,42+,43+,44-,45-,46+;2*31?,32?,33?,34-,35+,39-,40-,42-,43-,44+,45+,46-;3*27?,28?,29?,30-,31+,34-,35-,37-,38-,39+,40+,41-;27?,28?,29?,30-,31+,32-,33-,37-,38-,39+,40+,41-;24?,25?,26?,27-,28+,30-,31-,33-,34-,35+,36+,37-/m10000000/s1.

What are the key properties of [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate?

[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate has a molecular weight of 5658.00 g/mol, XLogP of 58.51, 76 rotatable bonds, 29 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate is sourced from PubChem (CID 161210809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).